Information card for entry 4119261

Structure parameters

• Formula: C26 H32 N2 S3
• Calculated formula: C26 H32 N2 S3
• SMILES: s1cc(CCCCCC)cc1c1c2nsnc2c(cc1)c1scc(c1)CCCCCC
• Title of publication: Fluorine Substituents Reduce Charge Recombination and Drive Structure and Morphology Development in Polymer Solar Cells
• Authors of publication: Andrew C. Stuart; John R. Tumbleston; Huaxing Zhou; Wentao Li; Shubin Liu; Harald Ade; Wei You
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 1806 - 1815
• a: 6.7622 ± 0.0001 Å
• b: 12.0974 ± 0.0002 Å
• c: 15.0929 ± 0.0003 Å
• α: 77.438 ± 0.001°
• β: 80.812 ± 0.001°
• γ: 78.147 ± 0.001°
• Cell volume: 1170.84 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No